2,6-DI-tert-BUTYLPHENOL

PRODUCT IDENTIFICATION
CAS NO. 128-39-2, 50356-17-7

2,6-DI-tert-BUTYLPHENOL

EINECS NO. 204-884-0
FORMULA [(CH3)3C]2C6H3OH
MOL WT. 206.33

H.S.CODE

 2907.19.8000

UN NO.

 2430
TOXICITY  
SYNONYMS 2,6-Bis(1,1-dimethylethyl)phenol; Dibutylphenol;
2,6-Bis(tert-butyl)phenol; Ethanox 701; 2,6-DTBP; 2,6-Di(1,1-dimethylethyl) phenol;
SMILES c1(c(c(C(C)(C)C)ccc1)O)C(C)(C)C

CLASSIFICATION

Antioxidant

EXTRA NOTES

 TSCA Flag T [Subject to the Section 4 test rule under TSCA]

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE clear to pale yellow semi soild
MELTING POINT 34 - 36 C
BOILING POINT

253 C

SPECIFIC GRAVITY

0.91

SOLUBILITY IN WATER

Negligible (2.5 mg/l)

SOLVENT SOLUBILITY Soluble in methanol, ether, benzene
VAPOR DENSITY  
pKa 11.7 (Dissociation Constant at 20 C)
log Pow 4.92 (Octanol-water)
VAPOR PRESSURE 7.30E-03 (mmHg at 25 C)
HENRY LAW CONSTANT 3.15E-06 (atm-m3/mole at 25 C)
OH RATE CONSTANT 4.91E-11(cm3/molecule-sec at 25 C Atmospheric )

NFPA RATINGS

 Health: 1; Flammability: 0; Reactivity: 0

AUTOIGNITION

 

REFRACTIVE INDEX

  
FLASH POINT

117 C

STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Material Safety Data Sheet

Google Scholar Search

http://north-america.evonik.com/
Uses: 2,6-Di-tert-butylphenol (2,6-DTBP) is an alkylated phenol industrially used as an UV stabilizer and an antioxidant for fuels, oils, gasolines, and other hydrocarbon based products. It is used as an antioxidant in rubber and some plastics. It is widely approved to prevent gumming in aviation fuels.

Local: Antioxidant is a substance added in small quantities to hydrocarbons which are susceptible to oxidation, such as rubbers, plastics, foods, and oils to inhibit or slow oxidative processes, while being itself oxidized.  Antioxidants work in two different ways. In primary antioxidants (also called free-radical scavengers), antioxidative activity is implemented by the donation of an electron or hydrogen atom to a radical derivative. These antioxidants are usually hindered amines (p-Phenylene diamine, trimethyl dihydroquinolines, alkylated diphenyl amines) or substituted phenolic compounds with one or more bulky functional groups such as a tertiary butyl at 2,6 position commonly. Butylated hydroxytoluene (BHT) is a common example of hindered phenolic antioxidant. The reaction rate, or carbocation stability, in SN1 mechanism is 3° > 2° > 1° > CH3 (no SN1) so, tertiary alkyl moiety exists in lots of phenolic antioxidant compounds. Primary antioxidants are free radical scavengers which combine with peroxy radicals and break autocatalytic cycle. In secondary antioxidants ( also called peroxide decomposers), activity is implemented by the removal of an oxidative catalyst and the consequent prevention of the initiation of oxidation. Examples of peroxide decomposer type of antioxidant are trivalent phosphorous and divalent sulfurcontaining compound such as sulfides, thiodipropionates and organophosphites. Synergistic effect is expected when primary antioxidants are used together with secondary antioxidants as primary antioxidants are not very effective against the degradation by UV oxidation. Sometimes, chelating agents are added to scavenge metal impurities which can initiate decomposition.

2,6-DTBP is used as an intermediate for the preparation of antioxidants and UV stabilizers. It is used as in manufacturing of pharmaceuticals and fragrances.
SALES SPECIFICATION

APPEARANCE

 clear to pale yellow semi solid
PURITY

99.0% min

MELTING POINT 34 - 36 C
COLOR, APHA 100 max
TRANSPORTATION
PACKING  
HAZARD CLASS 8 (Packing Group: III)
UN NO. 2430
SAFETY INFORMATION
Hazard Symbols: XN N, Risk Phrases: 22-52/53, Safety Phrases: 26-36-61
PRICE INFORMATION